moexiprilat   Click here for help

GtoPdb Ligand ID: 6572

Synonyms: RS-10029
Approved drug
moexiprilat is an approved drug
Compound class: Synthetic organic
Comment: Moexiprilat is the in vivo formed, active form of the prodrug moexipril. Moexiprilat is an ACE inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 125.4
Molecular weight 470.21
XLogP 1.98
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2CC(C(=O)O)N(Cc2cc1OC)C(=O)C(NC(C(=O)O)CCc1ccccc1)C
Isomeric SMILES COc1cc2C[C@@H](C(=O)O)N(Cc2cc1OC)C(=O)[C@@H](N[C@H](C(=O)O)CCc1ccccc1)C
InChI InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Angiotensin-converting enzyme Oc Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6.5x10-9 M) [1]